N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

C17H23N3O — CID 62424914

IUPACN-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2c3ccccc3CCC2C)on1
InChIInChI=1S/C17H23N3O/c1-3-18-11-15-10-16(21-19-15)12-20-13(2)8-9-14-6-4-5-7-17(14)20/h4-7,10,13,18H,3,8-9,11-12H2,1-2H3
InChIKeyCEPDJRDYLVOSLR-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.13
Rot. Bonds5

About N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine

N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (PubChem CID 62424914) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
PubChem CID62424914
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
SMILESCCNCc1cc(CN2c3ccccc3CCC2C)on1
InChIInChI=1S/C17H23N3O/c1-3-18-11-15-10-16(21-19-15)12-20-13(2)8-9-14-6-4-5-7-17(14)20/h4-7,10,13,18H,3,8-9,11-12H2,1-2H3
InChIKeyCEPDJRDYLVOSLR-UHFFFAOYSA-N
XLogP3.13
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine (CID 62424914) is N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is CCNCc1cc(CN2c3ccccc3CCC2C)on1.
What is the InChIKey of N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
The InChIKey is CEPDJRDYLVOSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-18-11-15-10-16(21-19-15)12-20-13(2)8-9-14-6-4-5-7-17(14)20/h4-7,10,13,18H,3,8-9,11-12H2,1-2H3.
What are the key properties of N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine?
N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 62424914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).